1-[(2-bromophenyl)methyl]-3,5-dimethyl-4-nitro-pyrazole

Systemtic Name: 1-[(2-bromophenyl)methyl]-3,5-dimethyl-4-nitro-pyrazole Openeye Name: 1-[(2-bromophenyl)methyl]-3,5-dimethyl-4-nitro-pyrazole CAS Name: 1-[(2-bromophenyl)methyl]-3,5-dimethyl-4-nitropyrazole IUPAC Name: 1-[(2-bromophenyl)methyl]-3,5-dimethyl-4-nitropyrazole Traditional Name: 1-(2-bromobenzyl)-3,5-dimethyl-4-nitro-pyrazole Formula: C12H12BrN3O2 MolecularWeight: 310.14658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2Br)C)[N+](=O)[O-]

InChI

InChI=1S/C12H12BrN3O2/c1-8-12(16(17)18)9(2)15(14-8)7-10-5-3-4-6-11(10)13/h3-6H,7H2,1-2H3